5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide

C12H16ClN5O2S — CID 64600101

IUPAC5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-4-14-12-10(13)5-9(6-15-12)21(19,20)18-11-7(2)16-17-8(11)3/h5-6,18H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFDSHALXMYKLVDX-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.31
Rot. Bonds5

About 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide

5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 64600101) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID64600101
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C12H16ClN5O2S/c1-4-14-12-10(13)5-9(6-15-12)21(19,20)18-11-7(2)16-17-8(11)3/h5-6,18H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFDSHALXMYKLVDX-UHFFFAOYSA-N
XLogP2.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000
5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914138
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451
5-chloro-6-(ethylamino)-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64600545
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide (CID 64600101) is 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1Cl.
What is the InChIKey of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is FDSHALXMYKLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-4-14-12-10(13)5-9(6-15-12)21(19,20)18-11-7(2)16-17-8(11)3/h5-6,18H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide?
5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64600101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).